Geometry & MOs

Info

ID:	219551
PubChem CID:	85149175
Reduced:	SO4N7C28H37 (1)
Stoich.:	AB4C7D28E37 (1)
Weight, g/mol:	567.403607
ΔH_f, kcal/mol:	-82.91
Dipole, Da:	6.84
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-hydroxy-7-methyl-N-(2-methylpropyl)-5-[2-(3-naphthalen-1-ylpropanoylamino)hexanoylamino]octanamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)N3C(=O)CN(C3=O)CC4=NNN=N4)CS(=O)(=O)N5CCC6(CCC7=CC=CC=C76)CC5)C

DOS

IR

Vibrations